(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone

C15H21NO3 — CID 107689544

IUPAC(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1c(O)cccc1O
InChIInChI=1S/C15H21NO3/c1-2-6-11-7-3-4-10-16(11)15(19)14-12(17)8-5-9-13(14)18/h5,8-9,11,17-18H,2-4,6-7,10H2,1H3
InChIKeyRRYFTOHSXJHLIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.89
Rot. Bonds3

About (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone

(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 107689544) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID107689544
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1c(O)cccc1O
InChIInChI=1S/C15H21NO3/c1-2-6-11-7-3-4-10-16(11)15(19)14-12(17)8-5-9-13(14)18/h5,8-9,11,17-18H,2-4,6-7,10H2,1H3
InChIKeyRRYFTOHSXJHLIB-UHFFFAOYSA-N
XLogP2.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone (CID 107689544) is (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1c(O)cccc1O.
What is the InChIKey of (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is RRYFTOHSXJHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-6-11-7-3-4-10-16(11)15(19)14-12(17)8-5-9-13(14)18/h5,8-9,11,17-18H,2-4,6-7,10H2,1H3.
What are the key properties of (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 107689544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).